1-(2-tert-butyl-4,5-diphenyl-1,2,4-triazol-4-ium-3-yl)-1,3-diethoxy-3-oxidanylidene-propan-1-olate

Systemtic Name: 1-(2-tert-butyl-4,5-diphenyl-1,2,4-triazol-4-ium-3-yl)-1,3-diethoxy-3-oxidanylidene-propan-1-olate Openeye Name: 1-(2-tert-butyl-4,5-diphenyl-1,2,4-triazol-4-ium-3-yl)-1,3-diethoxy-3-oxo-propan-1-olate CAS Name: 1-(2-tert-butyl-4,5-diphenyl-1,2,4-triazol-4-ium-3-yl)-1,3-diethoxy-3-oxo-1-propanolate IUPAC Name: 1-(2-tert-butyl-4,5-diphenyl-1,2,4-triazol-4-ium-3-yl)-1,3-diethoxy-3-oxopropan-1-olate Traditional Name: 1-(2-tert-butyl-4,5-diphenyl-1,2,4-triazol-4-ium-3-yl)-1,3-diethoxy-3-keto-propan-1-olate Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=[N+](C(=NN1C(C)(C)C)C2=CC=CC=C2)C3=CC=CC=C3)([O-])OCC

Isomeric SMILES

CCOC(=O)CC(C1=[N+](C(=NN1C(C)(C)C)C2=CC=CC=C2)C3=CC=CC=C3)([O-])OCC

InChI

InChI=1S/C25H31N3O4/c1-6-31-21(29)18-25(30,32-7-2)23-27(20-16-12-9-13-17-20)22(19-14-10-8-11-15-19)26-28(23)24(3,4)5/h8-17H,6-7,18H2,1-5H3